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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: azocan-1-yl-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone azocan-1-yl-[5-(3-hydroxyprop-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 5.12 -11 1 4 0 53 272.348 1 ↓

Analogs

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Popular Name: azocan-1-yl-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone azocan-1-yl-[5-(4-hydroxybut-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 5.89 -9.13 1 4 0 53 286.375 2 ↓

Analogs

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Popular Name: (E)-3-[5-(azocane-1-carbonyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(azocane-1-carbonyl)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.36 7.81 -52.39 0 5 -1 73 287.339 3 ↓

Analogs

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Popular Name: [5-(3-aminoprop-1-ynyl)-3-pyridyl]-(azocan-1-yl)methanone [5-(3-aminoprop-1-ynyl)-3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.57 5.83 -57.1 3 4 1 61 272.372 1 ↓
Mid Mid (pH 6-8) 0.57 5.43 -8.7 2 4 0 59 271.364 1 ↓

Analogs

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Popular Name: azocan-1-yl-[2-(trifluoromethylsulfonyl)-3-pyridyl]methanone azocan-1-yl-[2-(trifluoromethyls…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.90 5.48 -12.3 0 5 0 67 350.362 3 ↓

Analogs

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Popular Name: 5-(azocane-1-carbonyl)pyridine-2-carboxamide 5-(azocane-1-carbonyl)pyridine-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 3.15 -9.96 2 5 0 76 261.325 2 ↓

Parameters Provided:

ring.id = 3163
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 3163 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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